2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C13H19N3OS — CID 78908823

IUPAC2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CNC(C)(C)C)c(C#N)c1C
InChIInChI=1S/C13H19N3OS/c1-8-9(2)18-12(10(8)6-14)16-11(17)7-15-13(3,4)5/h15H,7H2,1-5H3,(H,16,17)
InChIKeyUUPYOBVBMFIJPG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds3

About 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 78908823) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID78908823
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CNC(C)(C)C)c(C#N)c1C
InChIInChI=1S/C13H19N3OS/c1-8-9(2)18-12(10(8)6-14)16-11(17)7-15-13(3,4)5/h15H,7H2,1-5H3,(H,16,17)
InChIKeyUUPYOBVBMFIJPG-UHFFFAOYSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
CID 55122081
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpentanamide
CID 61254032
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820896
N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
CID 4289593
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
CID 79812801
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631857
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 903532

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 78908823) is 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CNC(C)(C)C)c(C#N)c1C.
What is the InChIKey of 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is UUPYOBVBMFIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-9(2)18-12(10(8)6-14)16-11(17)7-15-13(3,4)5/h15H,7H2,1-5H3,(H,16,17).
What are the key properties of 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 78908823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).